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Thermal boundary resistance predictions from molecular dynamics simulations and theoretical calculations

E. S. Landry、Alan J. H. McGaughey2009-10-05OpenAlex

The accuracies of two theoretical expressions for thermal boundary resistance are assessed by comparing their predictions to independent predictions from molecular dynamics (MD) simulations. In one expression $({R}_{E})$, the phonon distributions are assumed to follow the equilibrium, Bose-Einstein distribution, while…

Advanced Thermoelectric Materials and DevicesSemiconductor materials and interfacesThermal properties of materials

Dynamic Light Scattering as a Powerful Tool for Gold Nanoparticle Bioconjugation and Biomolecular Binding Studies

Hilde Jans、Xiong Liu、Lauren A. Austin 等 5 位作者2009-10-05OpenAlex

Dynamic light scattering (DLS) is an analytical tool used routinely for measuring the hydrodynamic size of nanoparticles and colloids in a liquid environment. Gold nanoparticles (GNPs) are extraordinary light scatterers at or near their surface plasmon resonance wavelength. In this study, we demonstrate that DLS can b…

Protein Interaction Studies and Fluorescence AnalysisGold and Silver Nanoparticles Synthesis and ApplicationsNanoparticle-Based Drug Delivery

Self-Assembly Strategies for Integrating Light Harvesting and Charge Separation in Artificial Photosynthetic Systems

Michael R. Wasielewski2009-10-05OpenAlex

In natural photosynthesis, organisms optimize solar energy conversion through organized assemblies of photofunctional chromophores and catalysts within proteins that provide specifically tailored environments for chemical reactions. As with their natural counterparts, artificial photosynthetic systems for practical so…

Photosynthetic Processes and MechanismsPorphyrin and Phthalocyanine ChemistryPhotochemistry and Electron Transfer Studies

Anti-Icing Superhydrophobic Coatings

Liangliang Cao、Andrew K. Jones、Vinod K. Sikka 等 5 位作者2009-10-05OpenAlex

We use nanoparticle-polymer composites to demonstrate the anti-icing capability of superhydrophobic surfaces and report direct experimental evidence that such surfaces are able to prevent ice formation upon impact of supercooled water both in laboratory conditions and in natural environments. We find that the anti-ici…

Icing and De-icing TechnologiesSurface Modification and SuperhydrophobicitySmart Materials for Construction

Corrosion Inhibition of New 15 Chromium Tubulars in Acid Stimulation Fluids at High Temperatures

Joel Boles、Mingjie Ke、C. H. J. Parker2009-10-04SPE Annual Technical Conference and Exhibition

Abstract Over the past several years, a substantial increase in deep water exploration and production has brought new challenges to corrosion and material technology. The production environments in deep wells normally involve high temperature, high pressure, and sweet/sour gas. These severe conditions require corrosio…

Offshore Engineering and TechnologiesHydrogen embrittlement and corrosion behaviors in metalsCorrosion Behavior and Inhibition

Structural Analysis of Semi-specific Oligosaccharide Recognition by a Cellulose-binding Protein of Thermotoga maritima Reveals Adaptations for Functional Diversification of the Oligopeptide Periplasmic Binding Protein Fold

M.J. Cuneo、L.S. Beese、Homme W. Hellinga2009-10-04Journal of Biological Chemistry

Periplasmic binding proteins (PBPs) constitute a protein superfamily that binds a wide variety of ligands. In prokaryotes, PBPs function as receptors for ATP-binding cassette or tripartite ATP-independent transporters and chemotaxis systems. In many instances, PBPs bind their cognate ligands with exquisite specificity…

Glycosylation and Glycoproteins ResearchProtein Structure and DynamicsEnzyme Structure and Function

Unipolar Resistance Switching in Amorphous High-k dielectrics Based on Correlated Barrier Hopping Theory

Kui Li、Yidong Xia、Bo Xu 等 8 位作者2009-10-04arXiv

We have proposed a kind of nonvolatile resistive switching memory based on amorphous LaLuO3, which has already been established as a promising candidate of high-k gate dielectric employed in transistors. Well-developed unipolar switching behaviors in amorphous LaLuO3 make it suited for not only logic but memory applic…

cond-mat.otherMaterials Science

Surface Relief Gratings in Azobenzene‐Containing Polymers with Linear and Star‐Branched Architectures: A Comparison

Kati Gharagozloo‐Hubmann、Olga Kulikovska、Volker Börger 等 5 位作者2009-10-03Macromolecular Chemistry and Physics

Abstract The influence of molecular architecture on light‐induced SRG formation was investigated. Polymers with different degree of branching were synthesized by ATRP and functionalized with azobenzene chromophores. The polymers differ only in their architecture – linear, 4‐, 6‐, or 12‐arms stars. The photo‐induced di…

Liquid Crystal Research AdvancementsPhotochromic and Fluorescence ChemistryAdvanced Materials and Mechanics

Quasi-isothermal temperature-modulated differential scanning calorimetry (TMDSC) for the separation of reversible and irreversible thermodynamic changes in glass transition and melting ranges of flexible macromolecules

Bernhard Wunderlich2009-10-03Pure and Applied Chemistry

Abstract With standard differential scanning calorimetry (DSC), it is possible to derive calorimetric data for equilibrium or metastable samples. The introduction of temperature-modulated DSC (TMDSC) permits in its quasi-isothermal (non-scanning) mode (TMDC), long-time apparent heat capacity measurements of high preci…

thermodynamics and calorimetric analysesPolymer crystallization and propertiesMaterial Dynamics and Properties

Aspherical electron scattering factors and their parameterizations for elements from H to Xe

Jin‐Cheng Zheng、L. Wu、Yimei Zhu2009-10-03Journal of Applied Crystallography

The formalism for, and the values of, aspherical electron scattering factors using relativistic wavefunctions are presented. The parameterizations of electron form factors valid for a full range of scattering vectors from 0.0 to 6.0 Å −1 were obtained for atoms with atomic number 1 (H) to 54 (Xe) by fitting a linear c…

Electron and X-Ray Spectroscopy TechniquesSurface and Thin Film PhenomenaX-ray Diffraction in Crystallography

Determination of Hardness and Residual-Stress Variations in Hardened Surface Layers With Magnetic Barkhausen Noise

P. Zerovnik、Janez Grum、Gašper Žerovnik2009-10-03IEEE Transactions on Magnetics

We use magnetic Barkhausen noise to assess the microstructure, hardness, and residual stresses in hardened surface layers. We performed measurements on induction surface-hardened specimens, the thickness of hardened layers being different in each case. A change in the microstructure of the hardened surface layer produ…

Non-Destructive Testing TechniquesAdvanced Electrical Measurement TechniquesMagnetic Properties and Applications

A Molecular Dynamics Study of Two Apposing Polyelectrolyte Brushes with Mono‐ and Multivalent Counterions

Qianqian Cao、Chuncheng Zuo、Hongwei He 等 4 位作者2009-10-03Macromolecular Theory and Simulations

Abstract The conformational characteristics of polyelectrolytes end‐grafted on two apposing walls are studied. The monovalent and multivalent counterions are explicitly treated. It is found that the polyelectrolyte brushes undergo a collapse transition in the presence of multivalent counterions at large wall separatio…

Polymer Surface Interaction StudiesElectrostatics and Colloid InteractionsSurfactants and Colloidal Systems

Gemini‐Surfactant‐Directed Self‐Assembly of Monodisperse Gold Nanorods into Standing Superlattices

Andrés Guerrero‐Martínez、Jorge Pérez‐Juste、Enrique Carbó‐Argibay 等 5 位作者2009-10-03Angewandte Chemie

Die spontane Bildung selbstorganisierter hochgeordneter zwei- und dreidimensionaler Anordnungen aufrechter Nanostäbe auf großen Übergitterdomänen (siehe Bild) wird beschrieben. Die hexagonal dichte Packung der Nanostäbe senkrecht zum Substrat erinnert an flüssigkristalline Smektisch-B-Phasen. Optische Untersuchungen b…

Gold and Silver Nanoparticles Synthesis and ApplicationsSurfactants and Colloidal SystemsPickering emulsions and particle stabilization

Why is Indigo Photostable over Extremely Long Periods?

Izumi Iwakura、Atsushi Yabushita、Takayoshi Kobayashi2009-10-03Chemistry Letters

Abstract This experimental work clarifies the mechanism for the ultra-photostability of indigo carmine by direct observation of a transition state using a sub 5-fs laser pulse. The molecular structural changes during the photoexcited proton-transfer process were traced as the time-dependent instantaneous frequency of…

Photochromic and Fluorescence ChemistryPhotochemistry and Electron Transfer Studies

X-Ray Crystallography in Drug Discovery

Ana Luı́sa Carvalho、José Trincão、Maria João Romão2009-10-03Methods in molecular biology

Macromolecular X-ray crystallography is an important and powerful technique in drug discovery, used by pharmaceutical companies in the discovery process of new medicines. The detailed analysis of crystal structures of protein-ligand complexes allows the study of the specific interactions of a particular drug with its…

Biochemical and Molecular ResearchEnzyme Structure and FunctionComputational Drug Discovery Methods

Direct Synthesis of H 2 O 2 from H 2 and O 2 over Gold, Palladium, and Gold–Palladium Catalysts Supported on Acid‐Pretreated TiO 2

Jennifer K. Edwards、Edwin Ntainjua N.、Albert F. Carley 等 6 位作者2009-10-03Angewandte Chemie

Kern aus Gold: Säurebehandelte Au-Pd-Katalysatoren auf einem TiO2-Substrat haben einen definierten goldreichen Kern (blau im Bild) und eine palladiumreiche Schale (grün). Dieser Kern-Schale-Aufbau verbessert die Aktivität des Katalysators für die direkte Synthese von H2O2 aus H2 und O2.

Catalysis and Oxidation ReactionsCatalysis and Hydrodesulfurization StudiesCatalytic Processes in Materials Science

Nanofaceted PdO Sites in PdCe Surface Superstructures: Enhanced Activity in Catalytic Combustion of Methane

Sara Colussi、Arup Gayen、Matteo Farnesi Camellone 等 7 位作者2009-10-03Angewandte Chemie

Aufgelockerte Überstruktur: Ein durch Hocherhitzen einer Lösung synthetisierter Pd/CeO2-Katalysator ist drei- bis fünfmal aktiver bei der CH4-Verbrennung als die besten herkömmlichen Palladiumsysteme. Der Katalysator trägt eine geordnete Pd-O-Ce-Überstruktur auf seiner Oberfläche (siehe Bild; der türkise Pfeil verweis…

Nanomaterials for catalytic reactionsCatalysis and Oxidation ReactionsCatalytic Processes in Materials Science

Constrained Sintering of a Glass Ceramic Composite: I. Asymmetric Laminate

Jean‐Baptiste Ollagnier、Olivier Guillon、Jürgen Rödel2009-10-03Journal of the American Ceramic Society

The camber of asymmetric laminates has been experimentally measured and predicted. Two cases are distinguished: (i) sintering of a viscous layer on a viscous substrate and (ii) sintering of a viscous layer on an elastic substrate. In the first case, particular attention is paid to the microstructure of the shrinking l…

Advanced ceramic materials synthesisInjection Molding Process and PropertiesEpoxy Resin Curing Processes

The effect of fluorinated aryl substituents on the crystal structures of 1,2,3,5-dithiadiazolyl radicals

Caroline S. Clarke、Delia A. Haynes、J. Nicholas B. Smith 等 7 位作者2009-10-03CrystEngComm

The crystal structures of six new partially fluorinated aryl 1,2,3,5-dithiadiazolyls [ArCNSSN]˙ are reported [Ar = 2,6-F2C6H3 (4); Ar = 3,4-F2C6H3 (5); Ar = 3,5-F2C6H3 (6); Ar = 2,3,6-F3C6H2 (9); Ar = 2,4,6-F3C6H2 (11); and Ar = 3,4,5-F3C6H2 (12)] and compared with three previously reported structures in this series (…

Luminescence and Fluorescent MaterialsOrganic Light-Emitting Diodes ResearchOrganic and Molecular Conductors Research

High Plasticity and Substantial Deformation in Nanocrystalline NiFe Alloys Under Dynamic Loading

Sheng Cheng、Yonghao Zhao、Yazhou Guo 等 10 位作者2009-10-03Advanced Materials

A nanocrystalline (NC) NiFe alloy is presented, in which both highly improved plasticity and strength are achieved by the dynamic-loading-induced deformation mechanisms of de-twinning (that is, reduction of twin density) and significant grain coarsening. This work highlights potential ingenious avenues to exploit the…

Aluminum Alloys Composites PropertiesMicrostructure and mechanical propertiesMicrostructure and Mechanical Properties of Steels